tert-butyl 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenyl-pyrrolidine-1-carboxylate CAS Name: 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenylpyrrolidine-1-carboxylate Traditional Name: 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H25F6NO3 MolecularWeight: 489.450619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C2=CC=CC=C2)COC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C(C1)C2=CC=CC=C2)COC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H25F6NO3/c1-22(2,3)34-21(32)31-12-16(20(13-31)15-7-5-4-6-8-15)14-33-19-10-17(23(25,26)27)9-18(11-19)24(28,29)30/h4-11,16,20H,12-14H2,1-3H3